2-chloro-N-hexan-3-yl-5-methylpyrimidin-4-amine

C11H18ClN3 — CID 79073373

IUPAC2-chloro-N-hexan-3-yl-5-methylpyrimidin-4-amine
SMILESCCCC(CC)Nc1nc(Cl)ncc1C
InChIInChI=1S/C11H18ClN3/c1-4-6-9(5-2)14-10-8(3)7-13-11(12)15-10/h7,9H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyHBBADHPAFILKLL-UHFFFAOYSA-N
MW227.74 g/mol
LogP3.43
Rot. Bonds5

About 2-chloro-N-hexan-3-yl-5-methylpyrimidin-4-amine

2-chloro-N-hexan-3-yl-5-methylpyrimidin-4-amine (PubChem CID 79073373) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 2-chloro-N-hexan-3-yl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-hexan-3-yl-5-methylpyrimidin-4-amine
PubChem CID79073373
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name2-chloro-N-hexan-3-yl-5-methylpyrimidin-4-amine
SMILESCCCC(CC)Nc1nc(Cl)ncc1C
InChIInChI=1S/C11H18ClN3/c1-4-6-9(5-2)14-10-8(3)7-13-11(12)15-10/h7,9H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyHBBADHPAFILKLL-UHFFFAOYSA-N
XLogP3.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-hexan-3-yl-5-methylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-hexan-3-yl-5-methylpyrimidin-4-amine (CID 79073373) is 2-chloro-N-hexan-3-yl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-hexan-3-yl-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-hexan-3-yl-5-methylpyrimidin-4-amine is CCCC(CC)Nc1nc(Cl)ncc1C.
What is the InChIKey of 2-chloro-N-hexan-3-yl-5-methylpyrimidin-4-amine?
The InChIKey is HBBADHPAFILKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-4-6-9(5-2)14-10-8(3)7-13-11(12)15-10/h7,9H,4-6H2,1-3H3,(H,13,14,15).
What are the key properties of 2-chloro-N-hexan-3-yl-5-methylpyrimidin-4-amine?
2-chloro-N-hexan-3-yl-5-methylpyrimidin-4-amine has a molecular weight of 227.74 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-hexan-3-yl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 79073373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).